(Pentafluorophenyl)acetonitrile (C8H2F5N)

(Pentafluorophenyl)acetonitrile presents a C8 framework, aromatic rings, basic nitrogen (formula C8H2F5N, CAS 653-30-5). ChemicalTool Reaction can propose ranked disconnections for (Pentafluorophenyl)acetonitrile from the SMILES N#CCc1c(F)c(F)c(F)c(F)c1F.

Target: (Pentafluorophenyl)acetonitrile
CAS: 653-30-5
Formula: C8H2F5N
Approx. MW: 207.10
SMILES: N#CCc1c(F)c(F)c(F)c(F)c1F
PubChem CID: 69554
Approx. carbons: C8

(Pentafluorophenyl)acetonitrile structure

Properties

IUPAC name: 2-(2,3,4,5,6-pentafluorophenyl)acetonitrile
Common names: 653-30-5; 2,3,4,5,6-Pentafluorophenylacetonitrile; (Pentafluorophenyl)acetonitrile; Benzeneacetonitrile, 2,3,4,5,6-pentafluoro-; L3H6KE6UX6; EINECS 211-498-6; NSC-612875; DTXSID10215643; RefChem:441639; DTXCID40138134
Molecular weight: 207.10
Exact mass: 207.01
InChIKey: YDNOJUAQBFXZCR-UHFFFAOYSA-N

View on PubChem

(Pentafluorophenyl)acetonitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of (Pentafluorophenyl)acetonitrile?

(Pentafluorophenyl)acetonitrile has molecular formula C8H2F5N. Molecular weight about 207.10 g·mol⁻¹.

What is the CAS number of (Pentafluorophenyl)acetonitrile?

The CAS Registry Number for (Pentafluorophenyl)acetonitrile is 653-30-5.

Run AI retrosynthesis for (Pentafluorophenyl)acetonitrile Target catalog AI tools overview

One click loads (Pentafluorophenyl)acetonitrile into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

1-(4-Fluorophenyl)ethylamine 2-(2-Chlorophenyl)ethylamine 2-(Trifluoromethoxy)benzonitrile 2-(Trifluoromethyl)benzylamine 2-Chloro-5-(trifluoromethyl)benzonitrile 2-Fluoro-4-(trifluoromethyl)benzonitrile

Browse the full target catalog

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.